CID 452530

2set(4mepiperazin)-4naphquinazoline

Structural Information

Molecular Formula
C25H26N4S
SMILES
CN1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H26N4S/c1-28-12-14-29(15-13-28)16-17-30-25-26-23-9-5-4-8-22(23)24(27-25)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3
InChIKey
IPJYZRLUNFLAMJ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19508 200.4
[M+Na]+ 437.17702 208.3
[M-H]- 413.18052 205.1
[M+NH4]+ 432.22162 207.3
[M+K]+ 453.15096 198.4
[M+H-H2O]+ 397.18506 187.4
[M+HCOO]- 459.18600 208.6
[M+CH3COO]- 473.20165 207.3
[M+Na-2H]- 435.16247 203.8
[M]+ 414.18725 200.3
[M]- 414.18835 200.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.